Geometry & MOs

Info

ID:	355556
PubChem CID:	127289314
Reduced:	FO2N4C21H27 (1)
Stoich.:	AB2C4D21E27 (1)
Weight, g/mol:	349.157246
ΔH_f, kcal/mol:	-81.66
Dipole, Da:	5.13
IP(EA), eV:	-9.06(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dimethyl-3-[2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3(CCOCC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations